Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Compressive strengthIn mechanics, compressive strength (or compression strength) is the capacity of a material or structure to withstand loads tending to reduce size (as opposed to tensile strength which withstands loads tending to elongate). In other words, compressive strength resists compression (being pushed together), whereas tensile strength resists tension (being pulled apart). In the study of strength of materials, tensile strength, compressive strength, and shear strength can be analyzed independently.
KnotA knot is an intentional complication in cordage which may be practical or decorative, or both. Practical knots are classified by function, including hitches, bends, loop knots, and splices: a hitch fastens a rope to another object; a bend fastens two ends of a rope to each another; a loop knot is any knot creating a loop; and splice denotes any multi-strand knot, including bends and loops. A knot may also refer, in the strictest sense, to a stopper or knob at the end of a rope to keep that end from slipping through a grommet or eye.
Water modelIn computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent. The models are determined from quantum mechanics, molecular mechanics, experimental results, and these combinations. To imitate a specific nature of molecules, many types of models have been developed. In general, these can be classified by the following three points; (i) the number of interaction points called site, (ii) whether the model is rigid or flexible, (iii) whether the model includes polarization effects.
FrictionFriction is the force resisting the relative motion of solid surfaces, fluid layers, and material elements sliding against each other. There are several types of friction: Dry friction is a force that opposes the relative lateral motion of two solid surfaces in contact. Dry friction is subdivided into static friction ("stiction") between non-moving surfaces, and kinetic friction between moving surfaces. With the exception of atomic or molecular friction, dry friction generally arises from the interaction of surface features, known as asperities (see Figure 1).
Knot theoryIn topology, knot theory is the study of mathematical knots. While inspired by knots which appear in daily life, such as those in shoelaces and rope, a mathematical knot differs in that the ends are joined so it cannot be undone, the simplest knot being a ring (or "unknot"). In mathematical language, a knot is an embedding of a circle in 3-dimensional Euclidean space, . Two mathematical knots are equivalent if one can be transformed into the other via a deformation of upon itself (known as an ambient isotopy); these transformations correspond to manipulations of a knotted string that do not involve cutting it or passing it through itself.
Stress (mechanics)In continuum mechanics, stress is a physical quantity that describes forces present during deformation. An object being pulled apart, such as a stretched elastic band, is subject to tensile stress and may undergo elongation. An object being pushed together, such as a crumpled sponge, is subject to compressive stress and may undergo shortening. The greater the force and the smaller the cross-sectional area of the body on which it acts, the greater the stress. Stress has units of force per area, such as newtons per square meter (N/m2) or pascal (Pa).
Geometric topologyIn mathematics, geometric topology is the study of manifolds and maps between them, particularly embeddings of one manifold into another. Geometric topology as an area distinct from algebraic topology may be said to have originated in the 1935 classification of lens spaces by Reidemeister torsion, which required distinguishing spaces that are homotopy equivalent but not homeomorphic. This was the origin of simple homotopy theory. The use of the term geometric topology to describe these seems to have originated rather recently.
Strength of materialsThe field of strength of materials (also called mechanics of materials) typically refers to various methods of calculating the stresses and strains in structural members, such as beams, columns, and shafts. The methods employed to predict the response of a structure under loading and its susceptibility to various failure modes takes into account the properties of the materials such as its yield strength, ultimate strength, Young's modulus, and Poisson's ratio.
Infinitesimal strain theoryIn continuum mechanics, the infinitesimal strain theory is a mathematical approach to the description of the deformation of a solid body in which the displacements of the material particles are assumed to be much smaller (indeed, infinitesimally smaller) than any relevant dimension of the body; so that its geometry and the constitutive properties of the material (such as density and stiffness) at each point of space can be assumed to be unchanged by the deformation.
Stress–strain analysisStress–strain analysis (or stress analysis) is an engineering discipline that uses many methods to determine the stresses and strains in materials and structures subjected to forces. In continuum mechanics, stress is a physical quantity that expresses the internal forces that neighboring particles of a continuous material exert on each other, while strain is the measure of the deformation of the material. In simple terms we can define stress as the force of resistance per unit area, offered by a body against deformation.
Shear strengthIn engineering, shear strength is the strength of a material or component against the type of yield or structural failure when the material or component fails in shear. A shear load is a force that tends to produce a sliding failure on a material along a plane that is parallel to the direction of the force. When a paper is cut with scissors, the paper fails in shear. In structural and mechanical engineering, the shear strength of a component is important for designing the dimensions and materials to be used for the manufacture or construction of the component (e.
Molecular mechanicsMolecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields. Molecular mechanics can be used to study molecule systems ranging in size and complexity from small to large biological systems or material assemblies with many thousands to millions of atoms.
Normal forceIn mechanics, the normal force is the component of a contact force that is perpendicular to the surface that an object contacts, as in Figure 1. In this instance normal is used in the geometric sense and means perpendicular, as opposed to the common language use of normal meaning "ordinary" or "expected". A person standing still on a platform is acted upon by gravity, which would pull them down towards the Earth's core unless there were a countervailing force from the resistance of the platform's molecules, a force which is named the "normal force".
Low-dimensional topologyIn mathematics, low-dimensional topology is the branch of topology that studies manifolds, or more generally topological spaces, of four or fewer dimensions. Representative topics are the structure theory of 3-manifolds and 4-manifolds, knot theory, and braid groups. This can be regarded as a part of geometric topology. It may also be used to refer to the study of topological spaces of dimension 1, though this is more typically considered part of continuum theory.
Hooke's lawIn physics, Hooke's law is an empirical law which states that the force (F) needed to extend or compress a spring by some distance (x) scales linearly with respect to that distance—that is, F_s = kx, where k is a constant factor characteristic of the spring (i.e., its stiffness), and x is small compared to the total possible deformation of the spring. The law is named after 17th-century British physicist Robert Hooke. He first stated the law in 1676 as a Latin anagram.
TopologyIn mathematics, topology (from the Greek words τόπος, and λόγος) is concerned with the properties of a geometric object that are preserved under continuous deformations, such as stretching, twisting, crumpling, and bending; that is, without closing holes, opening holes, tearing, gluing, or passing through itself. A topological space is a set endowed with a structure, called a topology, which allows defining continuous deformation of subspaces, and, more generally, all kinds of continuity.
Force field (chemistry)In the context of chemistry and molecular modelling, a force field is a computational method that is used to estimate the forces between atoms within molecules and also between molecules. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics, molecular dynamics, or Monte Carlo simulations. The parameters for a chosen energy function may be derived from experiments in physics and chemistry, calculations in quantum mechanics, or both.
BraidA braid (also referred to as a plait) is a complex structure or pattern formed by interlacing three or more strands of flexible material such as textile yarns, wire, or hair. The simplest and most common version is a flat, solid, three-stranded structure. More complex patterns can be constructed from an arbitrary number of strands to create a wider range of structures (such as a fishtail braid, a five-stranded braid, rope braid, a French braid and a waterfall braid).
Contact mechanicsContact mechanics is the study of the deformation of solids that touch each other at one or more points. A central distinction in contact mechanics is between stresses acting perpendicular to the contacting bodies' surfaces (known as normal stress) and frictional stresses acting tangentially between the surfaces (shear stress). Normal contact mechanics or frictionless contact mechanics focuses on normal stresses caused by applied normal forces and by the adhesion present on surfaces in close contact, even if they are clean and dry.
